CHEBI:184574 - PHODiA-PG

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PHODiA-PG
ChEBI ID CHEBI:184574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H55O13P
Net Charge 0
Average Mass 654.731
Monoisotopic Mass 654.33803
InChI InChI=1S/C30H55O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-29(36)40-23-27(24-42-44(38,39)41-22-26(33)21-31)43-30(37)18-15-16-25(32)19-20-28(34)35/h19-20,25-27,31-33H,2-18,21-24H2,1H3,(H,34,35)(H,38,39)/b20-19+/t25?,26-,27+/m0/s1
InChIKey IZAWODGMBPNPBY-DVYIRHKNSA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PHODiA-PG (CHEBI:184574) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
(E)-8-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual Xrefs Databases
113380958 ChemSpider
LMGP20060007 LIPID MAPS
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